HRID674473

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

结构：CC(=O)N1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4ccn(S(=O)(=O)c5ccc(C)cc5)c4n3)cc2)CC1

HCID68579494

未命名化合物

PRODUCTS

生成物

结构：CC(=O)N1CCN(c2ccc(Nc3nc(Nc4ccc5cn[nH]c5c4)c4cc[nH]c4n3)cc2)CC1

HCID25174144

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46ec152d2620411aa1f44cf4d9cfcc95
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:48][OH:49].[K+:47].[OH-:46].[nH:1]1[n:2][cH:3][c:4]2[cH:5][cH:6][c:7]([NH:10][c:11]3[c:12]4[c:13]([n:14][c:15]([NH:17][c:18]5[cH:19][cH:20][c:21]([N:24]6[CH2:25][CH2:26][N:27]([C:30]([CH3:31])=[O:32])[CH2:28][CH2:29]6)[cH:22][cH:23]5)[n:16]3)[n:33]([S:36]([c:37]3[cH:38][cH:39][c:40]([CH3:41])[cH:42][cH:43]3)(=[O:44])=[O:45])[cH:34][cH:35]4)[cH:8][c:9]12>>[nH:1]1[n:2][cH:3][c:4]2[cH:5][cH:6][c:7]([NH:10][c:11]3[c:12]4[c:13]([n:14][c:15]([NH:17][c:18]5[cH:19][cH:20][c:21]([N:24]6[CH2:25][CH2:26][N:27]([C:30]([CH3:31])=[O:32])[CH2:28][CH2:29]6)[cH:22][cH:23]5)[n:16]3)[nH:33][cH:34][cH:35]4)[cH:8][c:9]12